| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCc1cc(CSc2ccccc2)c3N=C(N)NC(=O)c3c1 |
| SMILES | CACTVS | 3.341 | NCc1cc(CSc2ccccc2)c3N=C(N)NC(=O)c3c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21) |
| InChIKey | InChI | 1.03 | CBFXRTSHUMEYKQ-UHFFFAOYSA-N |
